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<div>Dear Luis,
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<div>Do you use the cpmd of cp.x or the md in pw.x?</div>
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<div>Thanks.</div>
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<div>Clarence</div>
<div>City university of Hong Kong</div>
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<div>-------- Original message --------</div>
<div>From: luisen <luisen@metodos.fam.cie.uva.es> </div>
<div>Date: 21/03/2017 20:42 (GMT+08:00) </div>
<div>To: pw_forum@pwscf.org </div>
<div>Subject: [Pw_forum] Documentation on atomic velocities </div>
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Dear developers,<br>
<br>
I am interested in using atomic velocities generated in previous MD runs <br>
in order to continue the MD calculation after a finished job (finished<br>
either gracefully or abruptly).<br>
I made a small program to compute the velocities from the positions and <br>
modified slightly the code in order to read the velocities from a file <br>
upon initialization if this file was present. It is however an ad-hoc <br>
solution.<br>
<br>
I have seen in the last distribution (6.1) that there is the possibility <br>
of using a section in the input file named ATOMIC_VELOCITIES.<br>
<br>
My question is if there is any documentation for its use, and if there<br>
is any flag so as to output the velocities (in addition to positions) to<br>
the output file, for later use as input in a subsequent run.<br>
<br>
Yours,<br>
<br>
Luis Enrique Gonzalez<br>
Universidad de Valladolid<br>
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